[(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2-dimethylpropanoate

C10H17F2NO2 — CID 174931825

IUPAC[(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@H]1CC(F)(F)CN1
InChIInChI=1S/C10H17F2NO2/c1-9(2,3)8(14)15-5-7-4-10(11,12)6-13-7/h7,13H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyQNBDZOVQUFIBTM-SSDOTTSWSA-N
MW221.25 g/mol
LogP1.57
Rot. Bonds2

About [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2-dimethylpropanoate

[(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 174931825) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID174931825
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name[(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@H]1CC(F)(F)CN1
InChIInChI=1S/C10H17F2NO2/c1-9(2,3)8(14)15-5-7-4-10(11,12)6-13-7/h7,13H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyQNBDZOVQUFIBTM-SSDOTTSWSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3,3-difluoropyrrolidine-2-carboxylate
CID 10103741
ethyl (2S)-4,4-difluoropyrrolidine-2-carboxylate
CID 66771236
Methyl 6-[(4-fluoropyrrolidin-2-yl)methoxy]hexanoate
CID 17859474
methyl 5-((2S,4S)-4-fluoro-2-pyrrolidinylmethoxy)pentanoate
CID 58778388
methyl 3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]propanoate
CID 58778406
methyl 6-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]hexanoate
CID 58778912
1-Fluorobutyl pyrrolidine-2-carboxylate
CID 69953238
Ethyl 4,4-difluoropyrrolidine-2-carboxylate
CID 77229974
2-(dimethylamino)ethyl (2S)-4,4-difluoropyrrolidine-2-carboxylate
CID 89826216
2-(Dimethylamino)ethyl 4,4-difluoropyrrolidine-2-carboxylate
CID 89826217
1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethyl 2,2,2-trifluoroacetate
CID 118294827
(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid
CID 118295093

Frequently Asked Questions

What is the IUPAC name of [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2-dimethylpropanoate (CID 174931825) is [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC[C@H]1CC(F)(F)CN1.
What is the InChIKey of [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is QNBDZOVQUFIBTM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-9(2,3)8(14)15-5-7-4-10(11,12)6-13-7/h7,13H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2-dimethylpropanoate?
[(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 221.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 174931825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).